Akkurt Mehmet, Karaca Selvi, Cihan Gökçe, Capan Gültaze, Büyükgüngör Orhan
Acta Crystallogr Sect E Struct Rep Online. 2009 Apr 8;65(Pt 5):o1009-10. doi: 10.1107/S1600536809012677.
In the title compound, C(21)H(17)FN(4)O(2)S, the planar indole fused-ring [maximum deviation 0.009 (1) Å] makes dihedral angles of 54.75 (9) and 14.90 (9)°, respectively, with the phenyl ring and the dihydro-thia-zolyl ring. The -CH2CH=CH(2) substituent is disordered over two positions in a 0.51 (1):0.49 (1) ratio. An intra-molecular N-H⋯S hydrogen bond generates an S(5) ring motif. The two independent mol-ecules are linked into a dimer by two N-H⋯O hydrogen bonds, forming an R(2) (2)(10) ring motif. The crystal structure features inter-molecular C-H⋯π and π-π stacking [centroid-centroid distance = 3.679 (1) Å] inter-actions. C-H⋯O and C-H⋯F inter-actions are also present.
在标题化合物C₂₁H₁₇FN₄O₂S中，平面吲哚稠环[最大偏差0.009 (1) Å]与苯环和二氢噻唑环分别形成54.75 (9)°和14.90 (9)°的二面角。-CH₂CH=CH₂取代基在两个位置上无序分布，比例为0.51 (1):0.49 (1)。分子内N-H⋯S氢键形成一个S(5)环模式。两个独立的分子通过两个N-H⋯O氢键连接成二聚体，形成一个R₂²(10)环模式。晶体结构具有分子间C-H⋯π和π-π堆积[质心-质心距离 = 3.679 (1) Å]相互作用。还存在C-H⋯O和C-H⋯F相互作用。
